Potassium Cation → 2-Amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-6-methyl-3-nitro-5-phenylbenzonitrile
Reaction equation
[K+:6].[K+:7].[K+:8].[NH2:9][c:10]1[c:11]([C:12]#[N:13])[c:14]([CH3:30])[c:15]([Br:29])[c:16]([N:21]2[CH2:22][CH:23]([N:26]([CH3:27])[CH3:28])[CH2:24][CH2:25]2)[c:17]1[N+:18](=[O:19])[O-:20].[O:117]1[CH2:118][CH2:119][O:120][CH2:121][CH2:122]1.[OH:31][B:32]([OH:33])[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[P:1]([O-:2])([O-:3])([O-:4])=[O:5].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[NH2:9][c:10]1[c:11]([C:12]#[N:13])[c:14]([CH3:30])[c:15](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:16]([N:21]2[CH2:22][CH:23]([N:26]([CH3:27])[CH3:28])[CH2:24][CH2:25]2)[c:17]1[N+:18](=[O:19])[O-:20]Participants
7
Sources & evidence
- ORD record
- ord-0d65e101e0d749a783ff33081ef3d24e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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